MOLECULAR-DYNAMICS SIMULATIONS OF SURFACE CHEMICAL-REACTIONS

Molecular dynamics simulations provide a means to examine the atomistic details of chemical reactions and at the same time yield information which can be compared directly with experimental data. This review presents the basic ideas behind molecular dynamics simulations and interaction potentials. Results of molecular dynamics simulations on the probing of surface processes by keV particle bombardment, the molecular beam epitaxial growth of Si, and the F atom etching of Si are discussed.